[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine

C13H22N2OS — CID 105225968

IUPAC[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCCOc1cccc(C(CSC(C)C)NN)c1
InChIInChI=1S/C13H22N2OS/c1-4-16-12-7-5-6-11(8-12)13(15-14)9-17-10(2)3/h5-8,10,13,15H,4,9,14H2,1-3H3
InChIKeyBITLYPQLALYAHN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.73
Rot. Bonds7

About [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine

[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 105225968) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
PubChem CID105225968
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCCOc1cccc(C(CSC(C)C)NN)c1
InChIInChI=1S/C13H22N2OS/c1-4-16-12-7-5-6-11(8-12)13(15-14)9-17-10(2)3/h5-8,10,13,15H,4,9,14H2,1-3H3
InChIKeyBITLYPQLALYAHN-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
[2-(4-bromophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105235869
[2-(3-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105237806
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
[1-(3-ethoxyphenyl)-3-phenoxypropyl]hydrazine
CID 105191343
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105328109
[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105328014
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046
[1-(3-ethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105191961
[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105225417

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 105225968) is [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine is CCOc1cccc(C(CSC(C)C)NN)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is BITLYPQLALYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-16-12-7-5-6-11(8-12)13(15-14)9-17-10(2)3/h5-8,10,13,15H,4,9,14H2,1-3H3.
What are the key properties of [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 105225968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).